Geometry & MOs

Info

ID:	335002
PubChem CID:	127253808
Reduced:	N2O2H11C12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	473.231456
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	4.2
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4-oxobutyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C(C3=CC4=CC=CC=C4N=C3O2)CC(=O)OC)C(=O)N1CCC5=CN=CN5

DOS

IR

Vibrations